OPERA Models: Henry's Law

Isothiazolo(5,4-b)pyridin-3(2H)-one, 4,6-dimethyl-2-(3-(4-(2-pyridinyl)-1-piperazinyl)propyl)-, 1,1-dioxide
145787-27-5 | DTXSID90163158

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Model Results

Predicted value: 1.16e-08 atm-m3/mole

Global applicability domain: Outside

Local applicability domain index: 0.21

Confidence level: 0.33

Model Performance

Scatterplot
Histogram
QMRF

Weighted KNN model

5-fold CV (75%) Training (75%) Test (25%)
Q2 Q2 R2 R2 R2 R2
0.84 0.89 0.84 0.88 0.85 0.75

Nearest Neighbors from the Training Set

  • Isoxaflutole

    Measured: 1.85e-10
    Predicted: 2.76e-10
  • Diflufenican

    Measured: 3.25e-07
    Predicted: 1.91e-07
  • 4-Nonylphenyl diphenyl phosphate

    Measured: 1.40e-08
    Predicted: 2.42e-08
  • Fluquinconazole

    Measured: 2.06e-11
    Predicted: 4.03e-11
  • 2-Ethylhexyl diphenyl phosphate

    Measured: 5.42e-05
    Predicted: 3.44e-05